Element = Lattice = Model = Element: O
Lattice: hcp
Model: Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_003
Computed model cutoff of 2.6499999943375876 Angstroms
Computed isolated atomic energy of 0.0 eV for species O

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.413814074546101, total energy = -1.2263077836728968

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4138140757568176, total energy = -1.2263077836728966

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.413814079016447, total energy = -1.2263077836728968

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4138140776194676, total energy = -1.2263077836728973

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4138140813447553, total energy = -1.2263077836728964

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4138140751048938, total energy = -1.2263077836728964

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.413814076036214, total energy = -1.2263077836728962

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.41381407820154, total energy = -1.2263077836728966

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.413814079761506, total energy = -1.2263077836728962

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4138140758499507, total energy = -1.2263077836728968

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.413814074918628, total energy = -1.2263077836728964

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4138140778784867, total energy = -1.2263077836728966

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.413814079016447, total energy = -1.2263077836728964

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.413814076036214, total energy = -1.2263077836728966

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.226308
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4138140755705524, total energy = -1.2263077836728968

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 3.153393506194413 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.666382
         Iterations: 86
         Function evaluations: 171
Results for this minimization:
  a = 2.931993292298392, c = 2.649175234628027, total energy = -1.666381955684854

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 3.3504806003315637 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.666382
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.9319933004691965, c = 2.6491752361247505, total energy = -1.6663819556848527

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 3.5475676944687144 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.666382
         Iterations: 83
         Function evaluations: 163
Results for this minimization:
  a = 2.931993285510683, c = 2.649175231650414, total energy = -1.6663819556848538

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 3.744654788605865 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.666382
         Iterations: 93
         Function evaluations: 191
Results for this minimization:
  a = 2.931993288391471, c = 2.649175234334294, total energy = -1.6663819556848534

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 3.941741882743016 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.845571
         Iterations: 87
         Function evaluations: 213
Results for this minimization:
  a = 2.1214981667031467, c = 5.02419594633164, total energy = -1.84557108339009

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 4.138828976880166 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.845571
         Iterations: 100
         Function evaluations: 236
Results for this minimization:
  a = 2.1214981532711112, c = 5.277022485232887, total energy = -1.8455710833900922

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 4.3359160710173175 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.845571
         Iterations: 88
         Function evaluations: 213
Results for this minimization:
  a = 2.121498154788539, c = 5.054067866371296, total energy = -1.8455710833900933

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 4.533003165154469 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.845571
         Iterations: 88
         Function evaluations: 209
Results for this minimization:
  a = 2.1214981579900893, c = 4.857007111996478, total energy = -1.8455710833900925

Attempting to perform relaxation using initial lattice constant guess of a = [2.41381408] Angstroms and c = 4.730090259291619 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.845571
         Iterations: 92
         Function evaluations: 223
Results for this minimization:
  a = 2.12149814346404, c = 5.289958555353233, total energy = -1.8455710833900922